tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate

C28H32O7 — CID 90090423

IUPACtert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate
SMILESCOc1ccc(COc2ccc(OC)c(C(=O)OC(C)(C)C)c2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C28H32O7/c1-28(2,3)35-27(29)25-23(32-6)15-16-24(33-17-19-7-11-21(30-4)12-8-19)26(25)34-18-20-9-13-22(31-5)14-10-20/h7-16H,17-18H2,1-6H3
InChIKeyJXSTYDVLRVPKKX-UHFFFAOYSA-N
MW480.56 g/mol
LogP5.83
Rot. Bonds10

About tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate

tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate (PubChem CID 90090423) has the molecular formula C28H32O7 and a molecular weight of 480.56 g/mol. Its IUPAC name is tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate.

Molecular Properties

Compound Nametert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate
PubChem CID90090423
Molecular FormulaC28H32O7
Molecular Weight480.56 g/mol
Exact Mass480.21
IUPAC Nametert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate
SMILESCOc1ccc(COc2ccc(OC)c(C(=O)OC(C)(C)C)c2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C28H32O7/c1-28(2,3)35-27(29)25-23(32-6)15-16-24(33-17-19-7-11-21(30-4)12-8-19)26(25)34-18-20-9-13-22(31-5)14-10-20/h7-16H,17-18H2,1-6H3
InChIKeyJXSTYDVLRVPKKX-UHFFFAOYSA-N
XLogP5.83
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 90127615
CID 90127615
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2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide
CID 118460229
CID 90127617
CID 90127617
tert-butyl N-[2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetyl]-N-propylcarbamate
CID 157141761
tert-butyl 3-(4-methoxyphenyl)propanoate
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tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate
CID 11380047
tert-butyl 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxynaphthalene-1-carbonyl)benzoate
CID 10886822
methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 134307216
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde
CID 88918697
tert-butyl N-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]carbamate
CID 139577017

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate?
The IUPAC name of tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate (CID 90090423) is tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate.
What is the SMILES notation for tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate?
The canonical SMILES for tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate is COc1ccc(COc2ccc(OC)c(C(=O)OC(C)(C)C)c2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate?
The InChIKey is JXSTYDVLRVPKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O7/c1-28(2,3)35-27(29)25-23(32-6)15-16-24(33-17-19-7-11-21(30-4)12-8-19)26(25)34-18-20-9-13-22(31-5)14-10-20/h7-16H,17-18H2,1-6H3.
What are the key properties of tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate?
tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate has a molecular weight of 480.56 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate is sourced from PubChem (CID 90090423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).